4-[[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[4-(4-methylpiperazino)sulfonylphenyl]pyrimidin-2-yl]amino]benzamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H24N6O3S/c1-27-12-14-28(15-13-27)32(30,31)19-8-4-16(5-9-19)20-10-11-24-22(26-20)25-18-6-2-17(3-7-18)21(23)29/h2-11H,12-15H2,1H3,(H2,23,29)(H,24,25,26)